4PTE

Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Glycogen synthase kinase-3 beta	polymer	441	49294.8	2	UniProt (P49841) Pfam (PF00069)	Homo sapiens (human)	GSK-3 beta, Serine/threonine-protein kinase GSK3B
2	C, D (A, B)	N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide	non-polymer		289.3	2	Chemie (2WF)
3	E, F (A, B)	water	water		18.0	379	Chemie (HOH)

Sequence modifications

A, B: 1 - 420 (UniProt: P49841)

PDB	External Database	Details
Met -20	-	initiating methionine
His -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98589.7
Non-Polymers*	Number of molecules	2
	Total formula weight	578.7
All*	Total formula weight	99168.3

*Water molecules are not included.